3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole

C40H30BrN — CID 145232525

IUPAC3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole
SMILESCc1cc2c(c(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(Br)c6)c5)ccc43)c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C40H30BrN/c1-25-20-34-31-14-4-6-16-35(31)40(2,3)39(34)38(21-25)42-36-17-7-5-15-32(36)33-24-29(18-19-37(33)42)27-11-8-10-26(22-27)28-12-9-13-30(41)23-28/h4-24H,1-3H3
InChIKeyKOLVUUPDLGXDAX-UHFFFAOYSA-N
MW604.59 g/mol
LogP11.49
Rot. Bonds3

About 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole

3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole (PubChem CID 145232525) has the molecular formula C40H30BrN and a molecular weight of 604.59 g/mol. Its IUPAC name is 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole.

Molecular Properties

Compound Name3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole
PubChem CID145232525
Molecular FormulaC40H30BrN
Molecular Weight604.59 g/mol
Exact Mass603.16
IUPAC Name3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole
SMILESCc1cc2c(c(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(Br)c6)c5)ccc43)c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C40H30BrN/c1-25-20-34-31-14-4-6-16-35(31)40(2,3)39(34)38(21-25)42-36-17-7-5-15-32(36)33-24-29(18-19-37(33)42)27-11-8-10-26(22-27)28-12-9-13-30(41)23-28/h4-24H,1-3H3
InChIKeyKOLVUUPDLGXDAX-UHFFFAOYSA-N
XLogP11.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.59
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole
CID 118505946
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene
CID 144639950
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
CID 145340655
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-isocyanophenyl)carbazole
CID 140790446
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216180
9-(9,9-dimethylfluoren-1-yl)-3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]carbazole;4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 163701249

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole?
The IUPAC name of 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole (CID 145232525) is 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole.
What is the SMILES notation for 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole?
The canonical SMILES for 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole is Cc1cc2c(c(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(Br)c6)c5)ccc43)c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole?
The InChIKey is KOLVUUPDLGXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30BrN/c1-25-20-34-31-14-4-6-16-35(31)40(2,3)39(34)38(21-25)42-36-17-7-5-15-32(36)33-24-29(18-19-37(33)42)27-11-8-10-26(22-27)28-12-9-13-30(41)23-28/h4-24H,1-3H3.
What are the key properties of 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole?
3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole has a molecular weight of 604.59 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole is sourced from PubChem (CID 145232525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).